3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

C10H18N4OS — CID 106445899

IUPAC3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(C2CSCCN2C)no1
InChIInChI=1S/C10H18N4OS/c1-7(2)11-10-12-9(13-15-10)8-6-16-5-4-14(8)3/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyHZKOYBZPPRRVKM-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.61
Rot. Bonds3

About 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 106445899) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID106445899
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(C2CSCCN2C)no1
InChIInChI=1S/C10H18N4OS/c1-7(2)11-10-12-9(13-15-10)8-6-16-5-4-14(8)3/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyHZKOYBZPPRRVKM-UHFFFAOYSA-N
XLogP1.61
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 106446091
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 106446045
N-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 106446088
4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 103594721
N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 106446094
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527981
2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594958
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594858
5-[chloro(phenyl)methyl]-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594663
(3R,5R)-5-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103594990
4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 103594952
2-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103594747

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 106445899) is 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)Nc1nc(C2CSCCN2C)no1.
What is the InChIKey of 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is HZKOYBZPPRRVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(2)11-10-12-9(13-15-10)8-6-16-5-4-14(8)3/h7-8H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 242.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106445899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).